D629-0181 Screening compound: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}ethan-1-one

D629-0181 Screening compound: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}ethan-1-one
D629-0181 Screening compound: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D629-0181
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}ethan-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D629-0181

Molecular Formula

C25H29N3O2S (C25 H29 N3 O2 S)

Compound Name

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}ethan-1-one

IUPAC name

1-[4-(23-dimethylphenyl)piperazin-1-yl]-2-{2-[(4-methylphenoxy)methyl]-13-thiazol-4-yl}ethan-1-one

SMILES

Cc(cc1)ccc1OCc1nc(CC(N(CC2)CCN2c2c(C)c(C)ccc2)=O)cs1

InChI

InChI=1S/C25H29N3O2S/c1-18-7-9-22(10-8-18)30-16-24-26-21(17-31-24)15-25(29)28-13-11-27(12-14-28)23-6-4-5-19(2)20(23)3/h4-10,17H,11-16H2,1-3H3

InChI Key

KFVBVXWHOYXLTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15142428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.444

Distribution Coefficient, logD

5.444

Water Solubility, LogSw

-5.35

Polar Surface Area

37.542

Acid Dissociation Constant (pKa)

21.26

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with D629-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D629-0181?
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What is the minimum amount of D629-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D629-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D629-0181
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D629-0181 available by request